SCHEMBL14950367

SCHEMBL14950367

CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2ON)c(C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.37
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
SOAT2 O75908 1/20 0.35
MYC P01106 1/20 0.35
SOAT1 P35610 1/20 0.35
MAP2K3 P46734 1/20 0.35
FABP3 P05413 2/20 0.34
FABP4 P15090 2/20 0.34
FABP5 Q01469 1/20 0.33
RXRA P19793 6/20 0.32
RARA P10276 3/20 0.32
RXRB P28702 3/20 0.32
RXRG P48443 3/20 0.32
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14931037 0.84 HDAC4 (0.39) ROCK2GABRA1GABRB2SOAT2MYC
SCHEMBL16050486 0.80 FABP3 (0.41) ROCK2GABRA1GABRB2SOAT2MYC
SCHEMBL14929520 0.80 ROCK2 (0.35) ROCK2GABRA1GABRB2SOAT2MYC
SCHEMBL16765785 0.79 HDAC4 (0.45) HDAC4HDAC8
SCHEMBL16050488 0.77 GABRA1 (0.52) ROCK2GABRA1GABRB2FABP3FABP4
SCHEMBL30317598 0.77 ROCK2 (0.39) ROCK2GABRA1GABRB2SOAT2MYC
SCHEMBL7124077 0.77 ROCK2 (0.39) ROCK2GABRA1GABRB2SOAT2MYC
SCHEMBL14125007 0.75 ROCK2 (0.33) ROCK2GABRA1GABRB2SOAT2MYC
Lithium Ion SCHEMBL17203679 0.75 ROCK2 (0.38) ROCK2GABRA1GABRB2SOAT2MYC
Hydrochloric Acid SCHEMBL21331878 0.75 ROCK2 (0.38) ROCK2GABRA1GABRB2SOAT2MYC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013070725-A1 TUNGSTEN OXO ALKYLIDENE COMPLEXES FOR Z SELECTIVE OLEFIN METATHESIS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-05-16 WO disclosed